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Bis(μ-3-hydroxy-benzoato)-κO:O;κO:O-bis-[bis-(1H-benzimidazole-κN)(3-hydroxy-benzoato-κO)nickel(II)] bis-(1H-benzimidazole-κN)bis-(3-hy-droxy-benzoato-κO)nickel(II) hexa-hydrate.

Shen H, Nie JJ, Su JR, Xu DJ - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The apical Ni-O(hydrox-yl) bond is 0.39 Å longer than the basal Ni-O(carbox-yl) bonds.The face-to-face separation of 3.326 (9) Å indicates the existence of π-π stacking between parallel bzim ligands of adjacent dinuclear entities.Extensive N-H⋯O and O-H⋯O hydrogen bonds help to stabilize the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Zhejiang University, People's Republic of China.

ABSTRACT
The title compound, [Ni(2)(C(7)H(5)O(3))(4)(C(7)H(6)N(2))(4)][Ni(C(7)H(5)O(3))(2)(C(7)H(6)N(2))(2)]·6H(2)O, is a mononuclear/dinuclear nickel(II) cocrystal, the two mol-ecular species inter-acting through hydrogen bonds that involve the uncoordinated water mol-ecules. In the mononuclear species, the Ni(II) ion, located on an inversion center, is coordinated by two 1H-benzimidazole (bzim) ligands and two 3-hydroxy-benzoate (hba) anions in a square-planar geometry. In the centrosymmetric dinuclear species, the Ni(II) ion is coordinated by two bzim ligands and three hba anions in a square-pyramidal geometry; of the two independent hba anions, one bridges two Ni(II) ions with both carboxylate and hydroxyl groups whereas the other coordin-ates in a unidentate manner to the Ni(II) ion. The apical Ni-O(hydrox-yl) bond is 0.39 Å longer than the basal Ni-O(carbox-yl) bonds. The face-to-face separation of 3.326 (9) Å indicates the existence of π-π stacking between parallel bzim ligands of adjacent dinuclear entities. Extensive N-H⋯O and O-H⋯O hydrogen bonds help to stabilize the crystal structure.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound with 30% probability displacement ellipsoids (arbitrary spheres for H atoms). Dashed lines indicate the hydrogen bonding [symmetry codes: (i) 2 - x,1 - y,-z; (ii) 1 - x,-y,1 - z].
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Fap1: The molecular structure of the title compound with 30% probability displacement ellipsoids (arbitrary spheres for H atoms). Dashed lines indicate the hydrogen bonding [symmetry codes: (i) 2 - x,1 - y,-z; (ii) 1 - x,-y,1 - z].


Bis(μ-3-hydroxy-benzoato)-κO:O;κO:O-bis-[bis-(1H-benzimidazole-κN)(3-hydroxy-benzoato-κO)nickel(II)] bis-(1H-benzimidazole-κN)bis-(3-hy-droxy-benzoato-κO)nickel(II) hexa-hydrate.

Shen H, Nie JJ, Su JR, Xu DJ - Acta Crystallogr Sect E Struct Rep Online (2008)

The molecular structure of the title compound with 30% probability displacement ellipsoids (arbitrary spheres for H atoms). Dashed lines indicate the hydrogen bonding [symmetry codes: (i) 2 - x,1 - y,-z; (ii) 1 - x,-y,1 - z].
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2960256&req=5

Fap1: The molecular structure of the title compound with 30% probability displacement ellipsoids (arbitrary spheres for H atoms). Dashed lines indicate the hydrogen bonding [symmetry codes: (i) 2 - x,1 - y,-z; (ii) 1 - x,-y,1 - z].
Bottom Line: The apical Ni-O(hydrox-yl) bond is 0.39 Å longer than the basal Ni-O(carbox-yl) bonds.The face-to-face separation of 3.326 (9) Å indicates the existence of π-π stacking between parallel bzim ligands of adjacent dinuclear entities.Extensive N-H⋯O and O-H⋯O hydrogen bonds help to stabilize the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Zhejiang University, People's Republic of China.

ABSTRACT
The title compound, [Ni(2)(C(7)H(5)O(3))(4)(C(7)H(6)N(2))(4)][Ni(C(7)H(5)O(3))(2)(C(7)H(6)N(2))(2)]·6H(2)O, is a mononuclear/dinuclear nickel(II) cocrystal, the two mol-ecular species inter-acting through hydrogen bonds that involve the uncoordinated water mol-ecules. In the mononuclear species, the Ni(II) ion, located on an inversion center, is coordinated by two 1H-benzimidazole (bzim) ligands and two 3-hydroxy-benzoate (hba) anions in a square-planar geometry. In the centrosymmetric dinuclear species, the Ni(II) ion is coordinated by two bzim ligands and three hba anions in a square-pyramidal geometry; of the two independent hba anions, one bridges two Ni(II) ions with both carboxylate and hydroxyl groups whereas the other coordin-ates in a unidentate manner to the Ni(II) ion. The apical Ni-O(hydrox-yl) bond is 0.39 Å longer than the basal Ni-O(carbox-yl) bonds. The face-to-face separation of 3.326 (9) Å indicates the existence of π-π stacking between parallel bzim ligands of adjacent dinuclear entities. Extensive N-H⋯O and O-H⋯O hydrogen bonds help to stabilize the crystal structure.

No MeSH data available.


Related in: MedlinePlus